1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine

C16H20N2O — CID 54929362

IUPAC1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-2-15(17)9-13-5-3-7-16(10-13)19-12-14-6-4-8-18-11-14/h3-8,10-11,15H,2,9,12,17H2,1H3
InChIKeyZLHNMQXFLGMRNY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.94
Rot. Bonds6

About 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine

1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine (PubChem CID 54929362) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
PubChem CID54929362
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C16H20N2O/c1-2-15(17)9-13-5-3-7-16(10-13)19-12-14-6-4-8-18-11-14/h3-8,10-11,15H,2,9,12,17H2,1H3
InChIKeyZLHNMQXFLGMRNY-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(pyrimidin-2-ylmethoxy)phenyl]butan-2-amine
CID 62699406
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 79882772
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
1-[3-(2-pyridin-4-ylethoxy)phenyl]butan-2-amine
CID 60907126
1-(3-prop-2-ynoxyphenyl)butan-2-amine
CID 60907609
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-[3-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]butan-2-amine
CID 106439644
1-[3-[(3-chloro-2-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102858107
1-[3-[2-(diethylamino)ethoxy]phenyl]butan-2-amine
CID 54929499
1-[3-(3-methylbut-2-enoxy)phenyl]butan-2-amine
CID 54929170

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine (CID 54929362) is 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is ZLHNMQXFLGMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-15(17)9-13-5-3-7-16(10-13)19-12-14-6-4-8-18-11-14/h3-8,10-11,15H,2,9,12,17H2,1H3.
What are the key properties of 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine?
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 54929362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).